3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethyl-benzoic acid Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCCC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCCC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C19H21N3O4S/c1-12-10-14(19(23)24)11-17(13(12)2)27(25,26)20-9-5-8-18-21-15-6-3-4-7-16(15)22-18/h3-4,6-7,10-11,20H,5,8-9H2,1-2H3,(H,21,22)(H,23,24)